(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;hydrochloride

C6H14ClNO2 — CID 21466688

IUPAC(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;hydrochloride
SMILESCC1(C)OCC(CN)O1.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-6(2)8-4-5(3-7)9-6;/h5H,3-4,7H2,1-2H3;1H
InChIKeyUJBLPIIKAPQKLR-UHFFFAOYSA-N
MW167.64 g/mol
LogP0.52
Rot. Bonds1

About (2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;hydrochloride

(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;hydrochloride (PubChem CID 21466688) has the molecular formula C6H14ClNO2 and a molecular weight of 167.64 g/mol. Its IUPAC name is (2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;hydrochloride
PubChem CID21466688
Molecular FormulaC6H14ClNO2
Molecular Weight167.64 g/mol
Exact Mass167.07
IUPAC Name(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;hydrochloride
SMILESCC1(C)OCC(CN)O1.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-6(2)8-4-5(3-7)9-6;/h5H,3-4,7H2,1-2H3;1H
InChIKeyUJBLPIIKAPQKLR-UHFFFAOYSA-N
XLogP0.52
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2-dimethyl-1,3-dioxolane
CID 58862633
(4R)-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyltellanylmethyl]-2,2-dimethyl-1,3-dioxolane
CID 132519104
(4R)-2,2-dimethyl-4-propyl-1,3-dioxolane
CID 59344944
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]thiohydroxylamine
CID 59058282
CID 59269279
CID 59269279
(4S)-4-[(1-iodocyclopropyl)methyl]-2,2-dimethyl-1,3-dioxolane
CID 66849166
(4R)-4-(cyclopropylmethyl)-2,2-dimethyl-1,3-dioxolane
CID 123766397
(2,2-diethyl-1,3-dioxolan-4-yl)methanamine
CID 23170380
N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]hydroxylamine
CID 23541087
N'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]methanediimine;hydrochloride
CID 175060692
(2-butan-2-yl-2-methyl-1,3-dioxolan-4-yl)methanamine
CID 130511719
2-(aminomethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexan-1-amine
CID 107386457

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;hydrochloride?
The IUPAC name of (2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;hydrochloride (CID 21466688) is (2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;hydrochloride.
What is the SMILES notation for (2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;hydrochloride?
The canonical SMILES for (2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;hydrochloride is CC1(C)OCC(CN)O1.Cl.
What is the InChIKey of (2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;hydrochloride?
The InChIKey is UJBLPIIKAPQKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.ClH/c1-6(2)8-4-5(3-7)9-6;/h5H,3-4,7H2,1-2H3;1H.
What are the key properties of (2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;hydrochloride?
(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;hydrochloride has a molecular weight of 167.64 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;hydrochloride is sourced from PubChem (CID 21466688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).